ethyl 4-[[2-(4-iodophenyl)imino-3-methyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[2-(4-iodophenyl)imino-3-methyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate CAS Name: 4-[[[2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate Traditional Name: 4-[[2-(4-iodophenyl)imino-4-keto-3-methyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid ethyl ester Formula: C21H20IN3O4S MolecularWeight: 537.37067

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)I)S2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)I)S2)C

InChI

InChI=1S/C21H20IN3O4S/c1-3-29-20(28)13-4-8-15(9-5-13)23-19(27)17-12-18(26)25(2)21(30-17)24-16-10-6-14(22)7-11-16/h4-11,17H,3,12H2,1-2H3,(H,23,27)